(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide

C10H16INO — CID 24894624

IUPAC(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide
SMILESC[N+]1(C)CCC[C@H]1c1ccco1.[I-]
InChIInChI=1S/C10H16NO.HI/c1-11(2)7-3-5-9(11)10-6-4-8-12-10;/h4,6,8-9H,3,5,7H2,1-2H3;1H/q+1;/p-1/t9-;/m0./s1
InChIKeyISTCTOUZRSAZGU-FVGYRXGTSA-M
MW293.15 g/mol
LogP-0.81
Rot. Bonds1

About (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide

(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide (PubChem CID 24894624) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide
PubChem CID24894624
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide
SMILESC[N+]1(C)CCC[C@H]1c1ccco1.[I-]
InChIInChI=1S/C10H16NO.HI/c1-11(2)7-3-5-9(11)10-6-4-8-12-10;/h4,6,8-9H,3,5,7H2,1-2H3;1H/q+1;/p-1/t9-;/m0./s1
InChIKeyISTCTOUZRSAZGU-FVGYRXGTSA-M
XLogP-0.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide?
The IUPAC name of (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide (CID 24894624) is (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide?
The canonical SMILES for (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide is C[N+]1(C)CCC[C@H]1c1ccco1.[I-].
What is the InChIKey of (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide?
The InChIKey is ISTCTOUZRSAZGU-FVGYRXGTSA-M. The full InChI is InChI=1S/C10H16NO.HI/c1-11(2)7-3-5-9(11)10-6-4-8-12-10;/h4,6,8-9H,3,5,7H2,1-2H3;1H/q+1;/p-1/t9-;/m0./s1.
What are the key properties of (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide?
(2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide has a molecular weight of 293.15 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide is sourced from PubChem (CID 24894624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).